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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'H3K27me3' AND taxid = 9606   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
H3K27me3


(Homo sapiens (Human))
BDBM155253
PNG
(US10098888, Compound 1 | US9006242, 1)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(OCCOC)cc1
Show InChI InChI=1S/C35H48N4O4/c1-8-39(29-13-11-28(12-14-29)38(5)6)33-21-27(26-9-15-30(16-10-26)43-18-17-42-7)20-31(25(33)4)34(40)36-22-32-23(2)19-24(3)37-35(32)41/h9-10,15-16,19-21,28-29H,8,11-14,17-18,22H2,1-7H3,(H,36,40)(H,37,41)/t28-,29-
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 77n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...


US Patent US10098888 (2018)

More data for this
Ligand-Target Pair
H3K27me3


(Homo sapiens (Human))
BDBM155255
PNG
(US10098888, Compound 105 | US9006242, 105)
Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CC1CCN(C)CC1
Show InChI InChI=1S/C31H42N4O3/c1-6-35(26-11-15-38-16-12-26)29-19-25(8-7-24-9-13-34(5)14-10-24)18-27(23(29)4)30(36)32-20-28-21(2)17-22(3)33-31(28)37/h17-19,24,26H,6,9-16,20H2,1-5H3,(H,32,36)(H,33,37)
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 104n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...


US Patent US10098888 (2018)

More data for this
Ligand-Target Pair
H3K27me3


(Homo sapiens (Human))
BDBM155254
PNG
(US10098888, Compound 2 | US9006242, 2)
Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)CCOC)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C#CCN1CCOCC1
Show InChI InChI=1S/C35H51N5O4/c1-7-40(30-12-10-29(11-13-30)38(5)15-18-43-6)33-23-28(9-8-14-39-16-19-44-20-17-39)22-31(27(33)4)34(41)36-24-32-25(2)21-26(3)37-35(32)42/h21-23,29-30H,7,10-20,24H2,1-6H3,(H,36,41)(H,37,42)/t29-,30-
GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 110n/an/an/an/an/an/a



Epizyme, Inc.

US Patent


Assay Description
General Materials. S-adenosylmethionine (SAM), S-adenosylhomocyteine (SAH), bicine, KCI, Tween20, dimethylsulfoxide (DMSO) and bovine skin gelatin (B...


US Patent US10098888 (2018)

More data for this
Ligand-Target Pair